3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide

C19H31N3O3 — CID 46798188

IUPAC3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCC1CCCO1
InChIInChI=1S/C19H31N3O3/c23-17(21-12-16-2-1-5-25-16)3-4-20-18(24)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H,21,23)(H2,20,22,24)
InChIKeyRINGAPQVLQEMMX-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.94
Rot. Bonds6

About 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide

3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 46798188) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID46798188
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCC1CCCO1
InChIInChI=1S/C19H31N3O3/c23-17(21-12-16-2-1-5-25-16)3-4-20-18(24)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H,21,23)(H2,20,22,24)
InChIKeyRINGAPQVLQEMMX-UHFFFAOYSA-N
XLogP1.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-adamantyl)-N-(oxolan-2-ylmethyl)butanediamide
CID 3979942
2-(1-adamantyl)-N-(oxolan-2-ylmethyl)acetamide
CID 6457745
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] adamantane-1-carboxylate
CID 5213454
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 119458642
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide;hydrochloride
CID 119458641
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide (CID 46798188) is 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCC1CCCO1.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is RINGAPQVLQEMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-17(21-12-16-2-1-5-25-16)3-4-20-18(24)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,1-12H2,(H,21,23)(H2,20,22,24).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide?
3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 349.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 46798188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).